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887355-04-6 | Benzenepropanoic acid,4-(chlorosulfonyl)-a,a-dimethyl-, ethyl ester
CAS No: 887355-04-6 Catalog No: AG00447C MDL No:
Product Description
Catalog Number:
AG00447C
Chemical Name:
Benzenepropanoic acid,4-(chlorosulfonyl)-a,a-dimethyl-, ethyl ester
CAS Number:
887355-04-6
Molecular Formula:
C13H17ClO4S
Molecular Weight:
304.7897
IUPAC Name:
ethyl 3-(4-chlorosulfonylphenyl)-2,2-dimethylpropanoate
InChI:
InChI=1S/C13H17ClO4S/c1-4-18-12(15)13(2,3)9-10-5-7-11(8-6-10)19(14,16)17/h5-8H,4,9H2,1-3H3
InChI Key:
JELQKGCZSKGTBM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Cc1ccc(cc1)S(=O)(=O)Cl)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.785g/mol
Monoisotopic Mass:
304.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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